Ligand
Ligand Name:   (1R)-2-(4-chlorophenoxy)-1-[(2-{[2-(dimethylamino)ethyl]disulfanyl}ethyl)(methyl)amino]-2-methylpropan-1-ol
Ligand Type:   non-polymer
Ligand ID:   COVPDB832 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CN(C)CCSSCCN(C)C(=O)C(C)(C)Oc1ccc(Cl)cc1
Standard InChI:   InChI=1S/C17H27ClN2O2S2/c1-17(2,22-15-8-6-14(18)7-9-15)16(21)20(5)11-13-24-23-12-10-19(3)4/h6-9H,10-13H2,1-5H3
Molecular Formula:   C17H27ClN2O2S2 Mol. Weight:   390.99 logP:   3.23
HBD:   0 HBA:   3
#Rotatable Bonds:   10 TPSA:   32.78

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
14-3-3 protein sigma P31947 (1433S_HUMAN) Homo sapiens (Human) 6HHP G4Z
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